CHEBI:131169 - 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone

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ChEBI Name 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone
ChEBI ID CHEBI:131169
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H17ClN6O
Net Charge 0
Average Mass 416.864
Monoisotopic Mass 416.11524
InChI InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1
InChIKey SJVQHLPISAIATJ-ZDUSSCGKSA-N
SMILES C[C@@H](C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5
ChEBI Ontology
Outgoing 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone (CHEBI:131169) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-42769 LINCS
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